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more files with ArgInfo support added

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This commit is contained in:
Axel Kohlmeyer
2021-02-03 16:19:05 -05:00
parent f745d5d7be
commit 2f7d6672df
6 changed files with 182 additions and 255 deletions
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58
src/fix_controller.cpp
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@ -13,6 +13,7 @@
#include "fix_controller.h"
#include "arg_info.h"
#include "compute.h"
#include "error.h"
#include "input.h"
@ -25,9 +26,6 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum{COMPUTE,FIX,VARIABLE};
/* ---------------------------------------------------------------------- */
FixController::FixController(LAMMPS *lmp, int narg, char **arg) :
@ -51,37 +49,19 @@ FixController::FixController(LAMMPS *lmp, int narg, char **arg) :
// process variable arg
int iarg = 8;
if (strncmp(arg[iarg],"c_",2) == 0 ||
strncmp(arg[iarg],"f_",2) == 0 ||
strncmp(arg[iarg],"v_",2) == 0) {
if (arg[iarg][0] == 'c') pvwhich = COMPUTE;
else if (arg[iarg][0] == 'f') pvwhich = FIX;
else if (arg[iarg][0] == 'v') pvwhich = VARIABLE;
ArgInfo argi(arg[8]);
if ((argi.get_type() == ArgInfo::UNKNOWN)
|| (argi.get_type() == ArgInfo::NONE)
|| (argi.get_dim() != 0))
error->all(FLERR,"Illegal fix controller command");
int n = strlen(arg[iarg]);
char *suffix = new char[n];
strcpy(suffix,&arg[iarg][2]);
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Illegal fix controller command");
pvindex = atoi(ptr+1);
*ptr = '\0';
} else pvindex = 0;
n = strlen(suffix) + 1;
pvID = new char[n];
strcpy(pvID,suffix);
delete [] suffix;
iarg++;
} else error->all(FLERR,"Illegal fix controller command");
pvwhich = argi.get_type();
pvindex = argi.get_index1();
pvID = argi.copy_name();
// setpoint arg
int iarg=9;
setpoint = utils::numeric(FLERR,arg[iarg],false,lmp);
iarg++;
@ -93,7 +73,7 @@ FixController::FixController(LAMMPS *lmp, int narg, char **arg) :
// error check
if (pvwhich == COMPUTE) {
if (pvwhich == ArgInfo::COMPUTE) {
int icompute = modify->find_compute(pvID);
if (icompute < 0)
error->all(FLERR,"Compute ID for fix controller does not exist");
@ -106,7 +86,7 @@ FixController::FixController(LAMMPS *lmp, int narg, char **arg) :
if (pvindex && pvindex > c->size_vector)
error->all(FLERR,"Fix controller compute vector is "
"accessed out-of-range");
} else if (pvwhich == FIX) {
} else if (pvwhich == ArgInfo::FIX) {
int ifix = modify->find_fix(pvID);
if (ifix < 0)
error->all(FLERR,"Fix ID for fix controller does not exist");
@ -118,7 +98,7 @@ FixController::FixController(LAMMPS *lmp, int narg, char **arg) :
"calculate a global scalar or vector");
if (pvindex && pvindex > f->size_vector)
error->all(FLERR,"Fix controller fix vector is accessed out-of-range");
} else if (pvwhich == VARIABLE) {
} else if (pvwhich == ArgInfo::VARIABLE) {
int ivariable = input->variable->find(pvID);
if (ivariable < 0)
error->all(FLERR,"Variable name for fix controller does not exist");
@ -157,18 +137,18 @@ int FixController::setmask()
void FixController::init()
{
if (pvwhich == COMPUTE) {
if (pvwhich == ArgInfo::COMPUTE) {
int icompute = modify->find_compute(pvID);
if (icompute < 0)
error->all(FLERR,"Compute ID for fix controller does not exist");
pcompute = modify->compute[icompute];
} else if (pvwhich == FIX) {
} else if (pvwhich == ArgInfo::FIX) {
int ifix = modify->find_fix(pvID);
if (ifix < 0) error->all(FLERR,"Fix ID for fix controller does not exist");
pfix = modify->fix[ifix];
} else if (pvwhich == VARIABLE) {
} else if (pvwhich == ArgInfo::VARIABLE) {
pvar = input->variable->find(pvID);
if (pvar < 0)
error->all(FLERR,"Variable name for fix controller does not exist");
@ -196,7 +176,7 @@ void FixController::end_of_step()
double current = 0.0;
if (pvwhich == COMPUTE) {
if (pvwhich == ArgInfo::COMPUTE) {
if (pvindex == 0) {
if (!(pcompute->invoked_flag & Compute::INVOKED_SCALAR)) {
pcompute->compute_scalar();
@ -213,13 +193,13 @@ void FixController::end_of_step()
// access fix field, guaranteed to be ready
} else if (pvwhich == FIX) {
} else if (pvwhich == ArgInfo::FIX) {
if (pvindex == 0) current = pfix->compute_scalar();
else current = pfix->compute_vector(pvindex-1);
// evaluate equal-style variable
} else if (pvwhich == VARIABLE) {
} else if (pvwhich == ArgInfo::VARIABLE) {
current = input->variable->compute_equal(pvar);
}